Investigation of electrochemical double layers in solid oxide cells

该跨学科项目旨在提高对固体氧化物电化学电池（SOC）Ni-Yttria稳定的氧化锆电极中基本过程的定性和定量理解。 如表面吸附、体扩散和表面扩散、电化学反应、静电势分布等，利用非平衡态热力学框架，建立SOC的模型体系。将特别关注电化学双电层中带电物种相互作用的非平衡描述以及化学上一致的界面条件的推导。与捷克项目合作伙伴密切合作，将该模型的预测与实验结果进行比较。为了从模型中获得定量数据，将使用物理上一致的离散化方法将其转化为数值模型。 数值模拟应包括所考虑的电化学过程和获得测量数据的方法，重点是电化学阻抗谱。这种方法将允许直接比较实验结果，识别物理模型参数，了解各种界面现象的相互作用和识别SOC中的限制过程。

This interdisciplinary project aims to improve the qualitative and quantitative understanding of the fundamental processes in solid oxide electrochemical cells (SOCs) Ni-Yttria-stabilized Zirconia electrode. such as surface adsorption, bulk and surface diffusion, electrochemical reactions, electrostatic potential distribution.Using the framework of non-equilibrium thermodynamics, a model hierarchy for SOCs will be formulated. Special attention will be given to the non-equilibrium description of charged species interaction in the electrochemical double layers and to the derivation of thermodynamically consistent interfacial conditions.In close cooperation with the Czech project partner, the predictions of this model will be compared to experimental results. In order to obtain quantitative data from the model, it will be transformed into a numerical model using thermodynamically consistent discretization approaches. Numerical simulations shall include both the electrochemical processes under consideration and the approaches to obtain measured data, with emphasis on electrochemical impedance spectroscopy. This approach will allow for a direct comparison to experimental results, identification of physical model parameters, understanding of interplay of various interfacial phenomena and the identification of limiting processes in SOCs.